4-Hydroxybenzoic acid; Amide
AlkaPlorer ID: AK035748
Synonym: 4-Hydroxybenzamide
IUPAC Name: 4-hydroxybenzamide
Structure
SMILES: NC(=O)C1=CC=C(O)C=C1
InChI: InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
Reference
PubChem CID: 65052
CAS: 1693-39-6
LOTUS: LTS0016886
NPASS: NPC160179
COCONUT: CNP0330477
{NPAtlas: NPA016028
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces tendae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 137.13799999999998
TPSA？: 63.32000000000001
MolLogP？: 0.4911
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Casein kinase II alpha | deltaTm | nan | None | 10.1016/j.bmc.2017.04.037 |
| Homo sapiens | CCRF-CEM | log(1/ID50) | 2.23 | None | 10.1021/jm050567w |
| Homo sapiens | Estrogen-related receptor alpha | Activity | nan | None | 10.1021/jm7012387 |
| Homo sapiens | Estrogen-related receptor gamma | Activity | nan | None | 10.1021/jm7012387 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | IC50 | 280000.0 | nM | 10.1021/jm010116l |
| Homo sapiens | Poly [ADP-ribose] polymerase 10 | Inhibition | 27.0 | % | 10.1016/j.ejmech.2018.06.047 |
| Mus musculus | L1210 | Activity | 15.0 | % | 10.1021/jm050567w |
| Mus musculus | L1210 | log(1/ID50) | 2.48 | None | 10.1021/jm050567w |
| None | ADMET | log(1/ID50) | 2.38 | None | 10.1021/jm050567w |